UCSF

ZINC35604603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 11 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.03 0.72 -37.2 3 4 1 63 162.209 6
Mid Mid (pH 6-8) 0.03 -0.52 -6.91 2 4 0 59 161.201 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )